Simeprevir

This product is for research use only, not for human use. We do not sell to patients.

Simeprevir
For small sizes, please check our retail website as below: www.invivochem.com
Size Price Stock
500mg$650In Stock
1g$1150In Stock
5g$1725In Stock

Cat #: V3154 CAS #: 923604-59-5 Purity ≥ 98%

Description: Simeprevir (previously known as TMC43) is a competitive, reversible, macrocyclic, noncovalent inhibitor of the hepatitis C virus (HCV) NS3/4A protease.

References: Raboisson P, et al. Structure-activity relationship study on a novel series of cyclopentane-containing macrocyclic inhibitors of the hepatitis C virus NS3/4A protease leading to the discovery of TMC435350. Bioorg Med Chem Lett. 2008 Sep 1;18(17):4853-8.

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Product Promise

Promise
Molecular Weight (MW)749.94
Molecular FormulaC38H47N5O7S2
CAS No.923604-59-5
Storage-20℃ for 3 years in powder formr
-80℃ for 2 years in solvent
Solubility In VitroDMSO: 100 mg/mL (133.3 mM)r
Water: < 1 mg/mLr
Ethanol: 4 mg/mL (5.3 mM)
SMILES CodeCOC1=C(C)C2=C(C(O[C@H]3CC(C(N(C)CCCC/C=C[C@H](C4)[C@]4(C(NS(=O)(C5CC5)=O)=O)N6)=O)[C@H](C6=O)C3)=CC(C7=NC(C(C)C)=CS7)=N2)C=C1
SynonymsSimeprevir; Olysio; TMC-435; TMC 435; TMC435; TMC-435350; TMC 435350; TMC435350;
ProtocolIn VitroSimeprevir (TMC435) inhibits HCV in a dose-dependent manner in Huh7-Luc cells, with EC50 and EC90 values of 8 nM and 24 nM, respectively.
In VivoSimeprevir (TMC435350) exhibits a medium-slow rate of absorption, well distribution with the high concentration observed in the liver, and a low clearance.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Preparing Stock Solutions
Solvent volume to be added Mass (the weight of a compound)
Mother liquor concentration 1mg5mg10mg20mg
1mM1.3334 mL6.6672 mL13.3344 mL26.6688 mL
5mM0.2667 mL1.3334 mL2.6669 mL5.3338 mL
10mM0.1333 mL0.6667 mL1.3334 mL2.6669 mL
20mM0.0667 mL0.3334 mL0.6667 mL1.3334 mL
Quality Control Documentation
The molarity calculator equation
Mass(g) = Concentration(mol/L) × Volume(L) × Molecular Weight(g/mol)
Mass
=
Concentration
×
Volume
×
Molecular Weight*
The dilution calculator equation
Concentration(start) × Volume(start) = Concentration(final) × Volume(final)

This equation is commonly abbreviated as: C1 V1 = C2 V2

Concentration(start)
C1
×
Volume(start)
V1
=
Concentration(final)
C2
×
Volume(final)
V2
Step One: Enter information below
Dosage mg/kg Average weight of animals g Dosing volume per animal µL Number of animals
Step Two: Enter the in vivo formulation
%DMSO + % + %Tween 80 + %ddH2O

Calculation Results:
Working concentration: mg/ml;
Method for preparing DMSO master liquid: mg drug pre-dissolved in µL DMSO(Master liquid concentration mg/mL) ,Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation: Take µL DMSO master liquid, next add µL PEG300, mix and clarify, next add µL Tween 80,mix and clarify, next add µL ddH2O,mix and clarify.
Note:
  • (1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
  • (2) Be sure to add the solvent(s) in order.